Vitas-M small molecule compound

2-(4-chloro-3-methylphenoxy)-1-[4-(prop-2-en-1-yl)piperazin-1-yl]ethanone

Catalog ID
STK480145
SMILES C=CCN1CCN(CC1)C(=O)COc1ccc(c(c1)C)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H21ClN2O2 MW 308.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21ClN2O2/c1-3-6-18-7-9-19(10-8-18)16(20)12-21-14-4-5-15(17)13(2)11-14/h3-5,11H,1,6-10,12H2,2H3
InChIKey
QLGJBLAIVQQOLR-UHFFFAOYSA-N
Synonyms

2(4chloro3methylphenoxy)1(4(prop2en1yl)piperazin1yl)ethanone
2(4CHLORO3METHYLPHENOXY)1(4PROP2ENYLPIPERAZIN1YL)ETHANONE
2(4CHLORO3METHYLPHENOXY)1(4PROP2ENYLPIPERAZINYL)ETHAN1ONE
CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC=C)Cl
InChI=1SC16H21ClN2O2c136187919(10818)16(20)1221144515(17)13(2)1114h3511H161012H22H3
MFCD08071852
ZINC000020352441
ZINC20352441

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.